CID 23743

7326-46-7

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1(CCCO1)O

InChI

InChI=1S/C5H10O2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3

InChIKey

WBESQMVRIKXRFL-UHFFFAOYSA-N

Compound name

2-methyloxolan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 102.06808 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	103.075356	117.6
[M+Na]+	125.057298	125.0
[M-H]-	101.060804	120.5
[M+NH4]+	120.101903	142.4
[M+K]+	141.031238	125.9
[M+H-H2O]+	85.065340	114.2
[M+HCOO]-	147.066281	139.3
[M+CH3COO]-	161.081931	160.9
[M+Na-2H]-	123.042746	125.5
[M]+	102.06753142	115.7
[M]-	102.06862858	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe